CID 76179

2901-90-8

Structural Information

Molecular Formula
C8H20O4P2S4
SMILES
CCOP(=S)(OCC)SSP(=S)(OCC)OCC
InChI
InChI=1S/C8H20O4P2S4/c1-5-9-13(15,10-6-2)17-18-14(16,11-7-3)12-8-4/h5-8H2,1-4H3
InChIKey
PJRVPYZPSNFUPX-UHFFFAOYSA-N
Compound name
(diethoxyphosphinothioyldisulfanyl)-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

369.97195 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.97923 171.2
[M+Na]+ 392.96117 174.4
[M-H]- 368.96467 166.4
[M+NH4]+ 388.00577 183.3
[M+K]+ 408.93511 167.4
[M+H-H2O]+ 352.96921 158.4
[M+HCOO]- 414.97015 181.7
[M+CH3COO]- 428.98580 212.9
[M+Na-2H]- 390.94662 168.5
[M]+ 369.97140 175.0
[M]- 369.97250 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe